Sugi Predict

Sugi Predict / Compounds / SCHEMBL2803593

SCHEMBL2803593

SCHEMBL2803593

O=S(=O)(c1cccc2c(Cl)cccc12)N1CCc2c(cnc3[nH]ncc23)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ NFKB1 P19838 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ MYLK Q15746 1/20 0.46
▸ LMNA P02545 3/20 0.45
▸ MAPT P10636 2/20 0.45
▸ GMNN O75496 1/20 0.45
▸ PMP22 Q01453 1/20 0.45
▸ HTR6 P50406 1/20 0.43
▸ POLB P06746 1/20 0.41
▸ ESR1 P03372 2/20 0.40
▸ ESR2 Q92731 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ SCN9A Q15858 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2804081 0.91 HTR6 (0.53) KMT2ALMNAHTR6ESR1ESR2
SCHEMBL2803967 0.91 HTR6 (0.43) MAPK1MEN1KMT2ALMNAMAPT
SCHEMBL2803134 0.89 HTR6 (0.43) MAPK1CYP3A4NFKB1MEN1TP53
SCHEMBL2809144 0.89 HTR6 (0.43) LMNAHTR6SMN1; SMN2SCN9AAKR1C3
SCHEMBL2805453 0.88 MET (0.46) MEN1KMT2ALMNAHTR6SMN1; SMN2
SCHEMBL2806857 0.83 PKM (0.48) KMT2AMAPTSMN1; SMN2TSHRCNR1
SCHEMBL2804490 0.83 HSD11B1 (0.42) KMT2AMAPTHTR6SCN9ATSHR
SCHEMBL2805150 0.82 ALOX5AP (0.39) MAPK1MEN1TP53KMT2ALMNA
SCHEMBL2802866 0.82 KMT2A (0.55) MAPK1MEN1KMT2ALMNAMAPT
SCHEMBL2805084 0.81 EPHX2 (0.41) HTR6AKR1C3ALOX5APFEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 — — US disclosed
US-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 — — US disclosed
US-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 — — US disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 — — US disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 — — US disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 — — US disclosed
WO-2010078427-A1 SUBSTITUTED PYRAZOLO [3, 4-B] PYRIDINE COMPOUNDS ARQULE, INC. (US) 2010-07-08 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS NQO1, IDH3B, IDH1 MAPK1 3253/4885CYP3A4 811/4885NFKB1 161/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.